2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C23H23FN4O2 — CID 68768473

IUPAC2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccccc1)c1nc2n(c1C(=O)NCc1cccc(F)c1)CCCC2
InChIInChI=1S/C23H23FN4O2/c1-27(23(30)17-9-3-2-4-10-17)21-20(28-13-6-5-12-19(28)26-21)22(29)25-15-16-8-7-11-18(24)14-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,25,29)
InChIKeyRUVCDYZRJHSRSW-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.57
Rot. Bonds5

About 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 68768473) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID68768473
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccccc1)c1nc2n(c1C(=O)NCc1cccc(F)c1)CCCC2
InChIInChI=1S/C23H23FN4O2/c1-27(23(30)17-9-3-2-4-10-17)21-20(28-13-6-5-12-19(28)26-21)22(29)25-15-16-8-7-11-18(24)14-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,25,29)
InChIKeyRUVCDYZRJHSRSW-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorobenzoyl)-methylamino]-N-[(2,4-difluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956730
2-[benzoyl(methyl)amino]-N-benzyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68770071
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(naphthalene-1-carbonyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68769480
ethyl 1-[2-[benzoyl(methyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 11956461
2-[methyl(naphthalene-1-carbonyl)amino]-N-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 140532372
N-methyl-2-[methyl(naphthalene-1-carbonyl)amino]-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 11956977
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442314
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
3-fluoro-N-[3-[[[2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetyl]amino]methyl]phenyl]benzamide
CID 55894061
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 68768473) is 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CN(C(=O)c1ccccc1)c1nc2n(c1C(=O)NCc1cccc(F)c1)CCCC2.
What is the InChIKey of 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is RUVCDYZRJHSRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-27(23(30)17-9-3-2-4-10-17)21-20(28-13-6-5-12-19(28)26-21)22(29)25-15-16-8-7-11-18(24)14-16/h2-4,7-11,14H,5-6,12-13,15H2,1H3,(H,25,29).
What are the key properties of 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 68768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).